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	hartrees
Energy at 0K	-131.470397
Energy at 298.15K	-131.472753
HF Energy	-131.153643
Nuclear repulsion energy	58.640785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3047	2955
2	A₁	1979	1919
3	A₁	1494	1449
4	A₁	875	848
5	E	3122	3028
5	E	3122	3028
6	E	1570	1522
6	E	1569	1522
7	E	1175	1140
7	E	1175	1140
8	E	268	260
8	E	268	260

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.142
N2	0.000	0.000	0.318
C3	0.000	0.000	1.524
H4	0.000	1.035	-1.505
H5	0.896	-0.518	-1.505
H6	-0.896	-0.518	-1.505

	C1	N2	C3	H4	H5	H6
C1		1.4597	2.6662	1.0969	1.0969	1.0969
N2	1.4597		1.2065	2.0961	2.0961	2.0961
C3	2.6662	1.2065		3.2011	3.2011	3.2011
H4	1.0969	2.0961	3.2011		1.7928	1.7928
H5	1.0969	2.0961	3.2011	1.7928		1.7928
H6	1.0969	2.0961	3.2011	1.7928	1.7928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	180.000	N2	C1	H4	109.326
N2	C1	H5	109.326	N2	C1	H6	109.326
H4	C1	H5	109.616	H4	C1	H6	109.616
H5	C1	H6	109.616

All results from a given calculation for CH₃NC (methyl isocyanide)

using model chemistry: MP4/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3NC (methyl isocyanide)

using model chemistry: MP4/3-21G

States and conformations

All results from a given calculation for CH₃NC (methyl isocyanide)